CID 3075296

174582-14-0

Structural Information

Molecular Formula
C12H17FN2O4
SMILES
CCCCCCOC(=O)CN1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C12H17FN2O4/c1-2-3-4-5-6-19-10(16)8-15-7-9(13)11(17)14-12(15)18/h7H,2-6,8H2,1H3,(H,14,17,18)
InChIKey
FECFDPKUXBDRDY-UHFFFAOYSA-N
Compound name
hexyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.11725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12453 157.9
[M+Na]+ 295.10647 166.8
[M-H]- 271.10997 156.4
[M+NH4]+ 290.15107 171.3
[M+K]+ 311.08041 163.3
[M+H-H2O]+ 255.11451 149.3
[M+HCOO]- 317.11545 176.7
[M+CH3COO]- 331.13110 195.4
[M+Na-2H]- 293.09192 160.2
[M]+ 272.11670 161.0
[M]- 272.11780 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.